Net-Clipping: An Approach to Deduce the Topology of Metal–Organic Frameworks Built with Zigzag Ligands
| Autor: | Inhar Imaz, Daniel Maspoch, Ali Morsali, Hosein Ghasempour, Judith Juanhuix, Borja Ortín-Rubio, Vincent Guillerm |
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| Přispěvatelé: | Ministerio de Ciencia, Innovación y Universidades (España), European Research Council, European Commission, Agencia Estatal de Investigación (España) |
| Rok vydání: | 2020 |
| Předmět: |
New approaches
Chemistry Diagonal Experimental research General Chemistry Molecular building blocks 010402 general chemistry Topology Net (mathematics) Network topology 01 natural sciences Biochemistry Proof of concept Catalysis 0104 chemical sciences Organic ligands Metalorganic frameworks (MOFs) Colloid and Surface Chemistry Zigzag Metal-organic framework Low symmetry Clipping (computer graphics) Topology (chemistry) |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname Dipòsit Digital de Documents de la UAB Universitat Autònoma de Barcelona |
| ISSN: | 1520-5126 0002-7863 |
| DOI: | 10.1021/jacs.0c03404 |
| Popis: | Herein we propose a new approach for deducing the topology of metal–organic frameworks (MOFs) assembled from organic ligands of low symmetry, which we call net-clipping. It is based on the construction of nets by rational deconstruction of edge-transitive nets comprising higher-connected molecular building blocks (MBBs). We have applied net-clipping to predict the topologies of MOFs containing zigzag ligands. To this end, we derived 2-connected (2-c) zigzag ligands from 4-c square-like MBBs by first splitting the 4-c nodes into two 3-c nodes and then clipping their two diagonally connecting groups. We demonstrate that, when this approach is applied to the 17 edge-transitive nets containing square-like 4-c MBBs, net-clipping leads to generation of 10 nets with different underlying topologies. Moreover, we report that literature and experimental research corroborate successful implementation of our approach. As proof-of-concept, we employed net-clipping to form three new MOFs built with zigzag ligands, each of which exhibits the deduced topology. This work was supported by the Spanish MINECO (project RTI2018-095622-B-I00), the Catalan AGAUR (project 2017 SGR 238), and the ERC under the EU-FP7 (ERC-Co 615954). It was also funded by the CERCA Program/Generalitat de Catalunya. ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (Grant No. SEV-2017-0706). |
| Databáze: | OpenAIRE |
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